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MMsINC code: MMs01677336

Type: Neutral
Formula: C₂₃H₂₂N₂O₂

SMILES:

O=C(c1ccccc1NC(=O)CNC(C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H22N2O2/c1-17(18-10-4-2-5-11-18)24-16-22(26)25-21-15-9-8-14-20(21)23(27)19-12-6-3-7-13-19/h2-15,17,24H,16H2,1H3,(H,25,26)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.282 kcal/mol

Physical Properties
Molecular Weight: 358.441 g/mol	logS: -5.52183	SlogP: 4.3024	Reactive groups: 0

Topological Properties
Globularity: 0.117073	Sterimol/B1: 2.19431	Sterimol/B2: 5.17737	Sterimol/B3: 6.43839
Sterimol/B4: 7.12628	Sterimol/L: 16.2088

Surface and Volume Properties
Accessible surface: 651.727	Positive charged surface: 363.76	Negative charged surface: 287.967	Volume: 365
Hydrophobic surface: 563.513	Hydrophilic surface: 88.214

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01677337
ENAMINE-ZINC06583079